N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide

• ChemBase ID: 347718
• Molecular Formular: C20H22N4O2S
• Molecular Mass: 382.47928
• Monoisotopic Mass: 382.14634696
• SMILES: n1c(sc2c1CCCC2)CN(C(=O)CCc1oc(nn1)c1ccccc1)C
• Canonical SMILES: O=C(N(Cc1nc2c(s1)CCCC2)C)CCc1nnc(o1)c1ccccc1
• InChI: InChI=1S/C20H22N4O2S/c1-24(13-18-21-15-9-5-6-10-16(15)27-18)19(25)12-11-17-22-23-20(26-17)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3
• InChIKey: SOBKSGZBXDENQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
• Synonyms: N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4824283
• LogD (pH = 7.4): 2.4828296
• Log P: 2.4828348
• Molar Refractivity: 115.1793 cm^3
• Polarizability: 39.98982 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.38
• LOG S: -4.93
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 6